(2S,3R)-3-(4-hydroxyphenyl)pyrrolidine-2-carboxamide

C11H14N2O2 — CID 141027708

IUPAC(2S,3R)-3-(4-hydroxyphenyl)pyrrolidine-2-carboxamide
SMILESNC(=O)[C@H]1NCC[C@@H]1c1ccc(O)cc1
InChIInChI=1S/C11H14N2O2/c12-11(15)10-9(5-6-13-10)7-1-3-8(14)4-2-7/h1-4,9-10,13-14H,5-6H2,(H2,12,15)/t9-,10+/m1/s1
InChIKeyIKQCJYJEKJDMBN-ZJUUUORDSA-N
MW206.25 g/mol
LogP0.32
Rot. Bonds2

About (2S,3R)-3-(4-hydroxyphenyl)pyrrolidine-2-carboxamide

(2S,3R)-3-(4-hydroxyphenyl)pyrrolidine-2-carboxamide (PubChem CID 141027708) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is (2S,3R)-3-(4-hydroxyphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-3-(4-hydroxyphenyl)pyrrolidine-2-carboxamide
PubChem CID141027708
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name(2S,3R)-3-(4-hydroxyphenyl)pyrrolidine-2-carboxamide
SMILESNC(=O)[C@H]1NCC[C@@H]1c1ccc(O)cc1
InChIInChI=1S/C11H14N2O2/c12-11(15)10-9(5-6-13-10)7-1-3-8(14)4-2-7/h1-4,9-10,13-14H,5-6H2,(H2,12,15)/t9-,10+/m1/s1
InChIKeyIKQCJYJEKJDMBN-ZJUUUORDSA-N
XLogP0.32
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-(4-hydroxyphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,3R)-3-(4-hydroxyphenyl)pyrrolidine-2-carboxamide (CID 141027708) is (2S,3R)-3-(4-hydroxyphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,3R)-3-(4-hydroxyphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,3R)-3-(4-hydroxyphenyl)pyrrolidine-2-carboxamide is NC(=O)[C@H]1NCC[C@@H]1c1ccc(O)cc1.
What is the InChIKey of (2S,3R)-3-(4-hydroxyphenyl)pyrrolidine-2-carboxamide?
The InChIKey is IKQCJYJEKJDMBN-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H14N2O2/c12-11(15)10-9(5-6-13-10)7-1-3-8(14)4-2-7/h1-4,9-10,13-14H,5-6H2,(H2,12,15)/t9-,10+/m1/s1.
What are the key properties of (2S,3R)-3-(4-hydroxyphenyl)pyrrolidine-2-carboxamide?
(2S,3R)-3-(4-hydroxyphenyl)pyrrolidine-2-carboxamide has a molecular weight of 206.25 g/mol, XLogP of 0.32, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-(4-hydroxyphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 141027708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).